2034544-43-7 ((1-[(1-{1-[3-(dimethylamino)benzoyl]azetidin-3-yl}-1H-1,2,3-triazol-4-yl)methyl]pyrrolidin-2-one)

1-[(1-{1-[3-(dimethylamino)benzoyl]azetidin-3-yl}-1H-1,2,3-triazol-4-yl)methyl]pyrrolidin-2-one(2034544-43-7)名称与标识符

名称

英文别名:
1-[[1-[1-[3-(dimethylamino)benzoyl]azetidin-3-yl]triazol-4-yl]methyl]pyrrolidin-2-one;1-((1-(1-(3-(dimethylamino)benzoyl)azetidin-3-yl)-1H-1,2,3-triazol-4-yl)methyl)pyrrolidin-2-one;1-[(1-{1-[3-(dimethylamino)benzoyl]azetidin-3-yl}-1H-1,2,3-triazol-4-yl)methyl]pyrrolidin-2-one;

标识符

InChIKey:
VUWKDJQBNAUTCQ-UHFFFAOYSA-N
Inchi:
1S/C19H24N6O2/c1-22(2)16-6-3-5-14(9-16)19(27)24-12-17(13-24)25-11-15(20-21-25)10-23-8-4-7-18(23)26/h3,5-6,9,11,17H,4,7-8,10,12-13H2,1-2H3
SMILES:
O=C(C1C([H])=C([H])C([H])=C(C=1[H])N(C([H])([H])[H])C([H])([H])[H])N1C([H])([H])C([H])(C1([H])[H])N1C([H])=C(C([H])([H])N2C(C([H])([H])C([H])([H])C2([H])[H])=O)N=N1

1-[(1-{1-[3-(dimethylamino)benzoyl]azetidin-3-yl}-1H-1,2,3-triazol-4-yl)methyl]pyrrolidin-2-one(2034544-43-7)物化性质

计算特性

  • 氢键供体数量 : 0
  • 氢键受体数量 : 5
  • 可旋转化学键数量 : 5
  • 重原子数量 : 27
  • 复杂度 : 564
  • 疏水参数计算参考值(XlogP) : 0.1
  • 拓扑分子极性表面积 : 74.6